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disodium 3-sulfo-2,2-di(tridecyl)butanedioate

disodium 3-sulfo-2,2-di(tridecyl)butanedioate

Systemtic Name:disodium 3-sulfo-2,2-di(tridecyl)butanedioate
Openeye Name:disodium 3-sulfo-2,2-di(tridecyl)butanedioate
CAS Name:disodium 3-sulfo-2,2-di(tridecyl)butanedioate
IUPAC Name:disodium 3-sulfo-2,2-di(tridecyl)butanedioate
Traditional Name:disodium 3-sulfo-2,2-di(tridecyl)succinate
Formula: C30H56Na2O7S
MolecularWeight: 606.80598
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]


Isomeric SMILES

CCCCCCCCCCCCCC(CCCCCCCCCCCCC)(C(C(=O)[O-])S(=O)(=O)O)C(=O)[O-].[Na+].[Na+]


InChI

InChI=1S/C30H58O7S.2Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(29(33)34,27(28(31)32)38(35,36)37)26-24-22-20-18-16-14-12-10-8-6-4-2;;/h27H,3-26H2,1-2H3,(H,31,32)(H,33,34)(H,35,36,37);;/q;2*+1/p-2


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